PSGen-1.6.0

 PSgen arguments: 
 -element Ta -xc PBE -smooth_v -bound l=0:rc=1.55 -bound l=1:rc=1.25
 -bound l=2:rc=1.55

 Bound state(s): 
   l=0: rc = 1.55
   l=1: rc = 1.25
   l=2: rc = 1.55

 Ta Z=73  [Xe] 4f14 5d3 6s2
 xc = PBE scalar relativistic core = yes
 mmax = 2000 rmin = 1.370e-08 rmax = 49.453
 total charge: 73.000

 Full atom solution:

 Weighted sum of eigenvalues:     -9597.357008
 electron-nucleus energy:        -38541.978610
 Coulomb interaction energy:       6104.342783
 Exc-Vxc:                            97.140376
 Total energy:                   -15604.559416

  n     l     f     e[n,l]      r_peak
  -     -     -     ------      ------
  1     0  2.00-2475.880552    0.011622
  2     0  2.00 -425.377559    0.066179
  2     1  6.00 -372.738294    0.054282
  3     0  2.00  -97.446997    0.188334
  3     1  6.00  -81.793171    0.186272
  3     2 10.00  -63.540421    0.151114
  4     0  2.00  -19.867993    0.425337
  4     1  6.00  -14.734029    0.449406
  4     2 10.00   -8.165465    0.459411
  4     3 14.00   -0.907867    0.439620
  5     0  2.00   -2.682802    0.981976
  5     1  6.00   -1.447891    1.120662
  5     2  3.00   -0.131962    1.576486
  6     0  2.00   -0.200010    2.763939
 l=0 ic=154 rc: 1.550000
 l=1 ic=124 rc: 1.250000
 l=2 ic=154 rc: 1.550000
 dv: 10.538939
 eig: -0.200010 ae_eig: -0.200010 error: -3.681825e-09
 l = 0 ae_norm: 1.000002e+00
 l = 0 ps_norm: 1.000000e+00
 l=0 rctp=1.630000e+00
 r[icn]: 2.330000e+00
 ae_outnorm: 8.027637e-01
 ps_outnorm: 7.923306e-01
 dl = -3.405979e-01
 outnorm error after correction: 3.162914e-12
 dv: 4.101151e+00
 eig: -1.447891e+00 ae_eig: -1.447891e+00 error: -2.839480e-09
 l = 1 ae_norm: 9.999940e-01
 l = 1 ps_norm: 1.000000e+00
 l=1 rctp=4.300000e-01
 r[icn]: 1.880000e+00
 ae_outnorm: 1.049711e-01
 ps_outnorm: 7.398436e-02
 dl = -5.366367e-01
 outnorm error after correction: -3.358035e-10
 dv: 2.131674e-01
 eig: -1.319621e-01 ae_eig: -1.319621e-01 error: 6.307038e-12
 l = 2 ae_norm: 1.000000e+00
 l = 2 ps_norm: 1.000000e+00
 l=2 rctp=7.600000e-01
 r[icn]: 2.330000e+00
 ae_outnorm: 3.811929e-01
 ps_outnorm: 3.745598e-01
 dl = -6.489336e-02
 outnorm error after correction: 2.159939e-12
 integral of charge density: 1.100000e+01
 smooth_v
 matching v polynomial at r=7.800000e-01
 l=0 eigenvalue correction: 5.971135e-05
 matching v polynomial at r=6.300000e-01
 l=1 eigenvalue correction: -1.262115e-04
 matching v polynomial at r=7.800000e-01
 l=2 eigenvalue correction: 6.719238e-04

 bound states test:
 eigenvalue test:          AE        pseudo           error
 ----------------          --        ------           -----
 l=0                   -0.200010   -0.200155     -1.453326e-04
 l=1                   -1.447891   -1.448840     -9.498554e-04
 l=2                   -0.131962   -0.131758      2.043079e-04
 norm test:   rcn          AE        pseudo           error
 ----------   ---          --        ------           -----
 l=0         2.330      0.802764    0.802741      2.229887e-05
 l=1         1.880      0.104971    0.104887      8.398012e-05
 l=2         2.330      0.381193    0.381986     -7.930556e-04
 truncating v[l=0] at i = 3289
 truncating v[l=1] at i = 3289
 truncating v[l=2] at i = 3289